4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide

C19H17N3O2 — CID 133442189

IUPAC4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H17N3O2/c20-19(23)17-13-21-10-9-18(17)22-12-14-5-4-8-16(11-14)24-15-6-2-1-3-7-15/h1-11,13H,12H2,(H2,20,23)(H,21,22)
InChIKeyALORUOFLMNEBSD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.58
Rot. Bonds6

About 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide

4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 133442189) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID133442189
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H17N3O2/c20-19(23)17-13-21-10-9-18(17)22-12-14-5-4-8-16(11-14)24-15-6-2-1-3-7-15/h1-11,13H,12H2,(H2,20,23)(H,21,22)
InChIKeyALORUOFLMNEBSD-UHFFFAOYSA-N
XLogP3.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
ethane;3-methyl-N-[(3-phenoxyphenyl)methyl]pyridin-4-amine
CID 156742499
(Z)-3-hydroxy-2-[2-[(3-phenoxyphenyl)methylamino]phenyl]prop-2-enamide
CID 142800165
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 133468780
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
CID 141087482
4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133470671
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516
4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133468437
4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133467997
2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
CID 171062567
1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 68878464

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide (CID 133442189) is 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide is NC(=O)c1cnccc1NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is ALORUOFLMNEBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-19(23)17-13-21-10-9-18(17)22-12-14-5-4-8-16(11-14)24-15-6-2-1-3-7-15/h1-11,13H,12H2,(H2,20,23)(H,21,22).
What are the key properties of 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide?
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133442189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).